REMARK  Name = BDB001180
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.654   0.754   0.258  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        0.484   0.417  -0.432  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1       -0.558   1.345  -0.515  0.00  0.00    +0.106 A 
ATOM      4  C   LIG    1       -0.448   2.604   0.081  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        0.714   2.934   0.777  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1        1.761   2.012   0.872  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        2.416  -1.447   0.374  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.739  -0.266   0.348  0.00  0.00    +0.248 C 
ATOM      9  N   LIG    1        4.022   0.242   0.367  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1        4.122   1.250   0.236  0.00  0.00    +0.155 HD
BRANCH   9  11
ATOM     11  C   LIG    1        5.248  -0.464   0.470  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1        6.472   0.249   0.423  0.00  0.00    +0.081 A 
ATOM     13  C   LIG    1        7.696  -0.437   0.522  0.00  0.00    +0.036 A 
ATOM     14  C   LIG    1        7.709  -1.819   0.670  0.00  0.00    +0.042 A 
ATOM     15 CL   LIG    1        9.208  -2.653   0.792  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        6.516  -2.530   0.723  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1        5.294  -1.856   0.625  0.00  0.00    +0.025 A 
BRANCH  12  18
ATOM     18  C   LIG    1        6.474   1.730   0.276  0.00  0.00    +0.339 C 
ATOM     19  O   LIG    1        5.481   2.438   0.237  0.00  0.00    -0.245 OA
BRANCH  18  20
ATOM     20  O   LIG    1        7.707   2.257   0.182  0.00  0.00    -0.477 OA
ATOM     21  H   LIG    1        7.564   3.222   0.081  0.00  0.00    +0.295 HD
ENDBRANCH  18  20
ENDBRANCH  12  18
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   3  22
ATOM     22  S   LIG    1       -2.036   0.898  -1.395  0.00  0.00    +0.061 S 
ATOM     23  O   LIG    1       -1.617   0.531  -2.731  0.00  0.00    -0.153 OA
ATOM     24  O   LIG    1       -3.017   1.938  -1.173  0.00  0.00    -0.153 OA
BRANCH  22  25
ATOM     25  N   LIG    1       -2.545  -0.496  -0.581  0.00  0.00    -0.172 NA
ATOM     26  C   LIG    1       -3.479  -1.367  -1.332  0.00  0.00    +0.145 C 
ATOM     27  C   LIG    1       -4.940  -1.205  -0.979  0.00  0.00    -0.025 A 
ATOM     28  C   LIG    1       -5.353  -0.479   0.157  0.00  0.00    -0.000 A 
ATOM     29  C   LIG    1       -6.725  -0.364   0.418  0.00  0.00    +0.120 A 
ATOM     30  C   LIG    1       -7.671  -0.998  -0.383  0.00  0.00    +0.046 A 
ATOM     31  C   LIG    1       -7.260  -1.736  -1.487  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -4.323   0.176   1.042  0.00  0.00    +0.056 C 
ATOM     33  C   LIG    1       -5.902  -1.835  -1.787  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -2.918  -0.391   0.849  0.00  0.00    +0.114 C 
BRANCH  29  35
ATOM     35  O   LIG    1       -7.215   0.370   1.462  0.00  0.00    -0.506 OA
ATOM     36  H   LIG    1       -6.565   1.054   1.687  0.00  0.00    +0.292 HD
ENDBRANCH  29  35
ENDBRANCH  22  25
ENDBRANCH   3  22
TORSDOF 7